(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one

C19H15N3O3 — CID 135678111

IUPAC(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2ncc[nH]2)ccc1O
InChIInChI=1S/C19H15N3O3/c1-25-17-9-12(3-5-16(17)23)11-2-4-13-14(10-18-20-6-7-21-18)19(24)22-15(13)8-11/h2-10,23H,1H3,(H,20,21)(H,22,24)/b14-10-
InChIKeyMKJOYZLSTNIBNH-UVTDQMKNSA-N
MW333.35 g/mol
LogP3.28
Rot. Bonds3

About (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one

(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 135678111) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
PubChem CID135678111
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2ncc[nH]2)ccc1O
InChIInChI=1S/C19H15N3O3/c1-25-17-9-12(3-5-16(17)23)11-2-4-13-14(10-18-20-6-7-21-18)19(24)22-15(13)8-11/h2-10,23H,1H3,(H,20,21)(H,22,24)/b14-10-
InChIKeyMKJOYZLSTNIBNH-UVTDQMKNSA-N
XLogP3.28
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one (CID 135678111) is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one is COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2ncc[nH]2)ccc1O.
What is the InChIKey of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is MKJOYZLSTNIBNH-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-25-17-9-12(3-5-16(17)23)11-2-4-13-14(10-18-20-6-7-21-18)19(24)22-15(13)8-11/h2-10,23H,1H3,(H,20,21)(H,22,24)/b14-10-.
What are the key properties of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 333.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 135678111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).